Related papers: A new generation of effective core potentials: sel…
We have presented the theory, implementation, and benchmark results for the one-electronic variant of spin-free exact two-component (SFX2C1e) linear response coupled cluster (LRCCSD) theory for static and dynamic polarizabilities of atoms…
The exact exchange-correlation (xc) kernel $f_\mathrm{xc}(x,x',\omega)$ of linear response time-dependent density functional theory is computed over a wide range of frequencies, for three canonical one-dimensional finite systems. Methods…
Recent advances in vision transformers (ViTs) have demonstrated the advantage of global modeling capabilities, prompting widespread integration of large-kernel convolutions for enlarging the effective receptive field (ERF). However, the…
We derive an effective field theory for general chaotic two-dimensional conformal field theories with a large central charge. The theory is a specific and calculable instance of a more general framework recently proposed in [1]. We discuss…
Accurate coresets are a weighted subset of the original dataset, ensuring a model trained on the accurate coreset maintains the same level of accuracy as a model trained on the full dataset. Primarily, these coresets have been studied for a…
We propose a simple scheme to construct composition-dependent interatomic potentials for multicomponent systems that when superposed onto the potentials for the pure elements can reproduce not only the heat of mixing of the solid solution…
Critical exceptional points (CEPs) are nonequilibrium critical points in open many-body systems at which multiple collective excitation modes coalesce. CEPs are known to amplify classical fluctuations, but their effect on genuinely…
The CERN proposed $e^+e^-$ Future Circular Collider (FCC-ee) is an electroweak, flavour, Higgs and top factory with unprecedented luminosities. Many measurements at the FCC-ee will rely on precisely determining the particle production…
The combination of the configuration interaction method and all-order single-double coupled-cluster technique is used to calculate excitation energies, ionization potentials and static dipole polarizabilities of superheavy elements…
The construction of the potential energy surface (PES) of even a medium-sized molecule employing correlated theory, such as CCSD(T), is an arduous task due to the high computational cost. In this Letter, we report the possibility of…
The incorporation of the Breit interaction in atomic and molecular calculations is discussed in the framework of four-component all-electron and two-component relativistic effective core potential (RECP)formalisms. Contributions of the…
In the presented paper we tackle the problem of the effective field theory in curved spacetime (cEFT) construction. To this end, we propose to use the heat kernel method. After introducing the general formalism based on the well established…
A previously proposed computational procedure for constructing a set of nonorthogonal strongly localised one-electron molecular orbitals (O. Danyliv, L. Kantorovich - physics/0401107) is applied to a perfect $\alpha$-quartz crystal…
The effective field theory (EFT) turns out to be an instrument of an immense value in all aspects of modern particle physics being theory, phenomenology or experiment. In the paper I will show how to extend the systematic top down approach…
The FCC program at CERN provides an attractive all-in-one solution to address many of the key questions in particle physics. While we fully support the efforts towards this ambitious path, we believe that it is important to prepare a…
The performance of correlated optimized effective potential (OEP) functionals based on the spin-resolved second-order correlation energy is analyzed. The relative importance of singly- and doubly- excited contributions as well as the effect…
Most approximate exchange-correlation functionals used within density functional theory are constructed as the sum of two distinct contributions for exchange and correlation. Separating the exchange component from the entire functional is…
Investigation of P,T-parity nonconservation (PNC) phenomena is of fundamental importance for physics. Experiments to search for PNC effects have been performed on TlF and YbF molecules and are in progress for PbO and PbF molecules. For…
We have carried out theoretical investigations of electron correlation effects on the atomic properties of the Ca atom trapped inside an attractive spherically symmetric potential well of an endohedral fullerene C$_{60}$ cluster.…
It is now widely accepted that the antiferromagnetic coupling within high temperature superconductors strongly exhibits a profound correlation with the upper limit of superconducting transition temperature these materials can reach. Thus,…